Formula | N4F6O10S14H100C132 |
Reduced formula | N2F3O5S7H50C66 |
Stoichiometry | A2B3C5D7E50F66 |
Number of species | 6 |
Number of atoms | 266 |
Unique ID | 11 |
Packing density | 0.029 |
Dipole moment [Debye] | 8.266 |
HOMO-LUMO gap (B3LYP) [eV] | 2.313 |
HOMO (B3LYP) [eV] | -4.910 |
LUMO (B3LYP) [eV] | -2.596 |
Unit | Dimer |
GS Energy [eV] | -333001.416 |